USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 180:sc= 0.632 USER MOD Set 1.2: A 34 THR OG1 : rot -173:sc= 0.791 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.515) USER MOD Single : A 2 SER OG : rot -84:sc= -4! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -10.2! C(o=-10!,f=-5.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0.345 (180deg=0.11) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 33 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.7) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -126:sc= -7.38! USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0508 (180deg=-0.473) USER MOD Single : A 56 ASN : amide:sc= -7.02! C(o=-7!,f=-6.9!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.699 USER MOD Single : A 67 GLN : amide:sc= -15.9! C(o=-16!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.32! C(o=-1.3!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -21.283 -5.969 -5.762 1.00 0.00 N ATOM 2 CA MET A 0 -20.921 -4.539 -5.966 1.00 0.00 C ATOM 3 C MET A 0 -20.811 -3.842 -4.608 1.00 0.00 C ATOM 4 O MET A 0 -21.758 -3.788 -3.849 1.00 0.00 O ATOM 5 CB MET A 0 -21.999 -3.853 -6.807 1.00 0.00 C ATOM 6 CG MET A 0 -21.404 -3.417 -8.147 1.00 0.00 C ATOM 7 SD MET A 0 -22.063 -4.463 -9.468 1.00 0.00 S ATOM 8 CE MET A 0 -22.982 -3.170 -10.339 1.00 0.00 C ATOM 0 H1 MET A 0 -21.358 -6.443 -6.685 1.00 0.00 H new ATOM 0 H2 MET A 0 -20.549 -6.435 -5.192 1.00 0.00 H new ATOM 0 H3 MET A 0 -22.196 -6.029 -5.267 1.00 0.00 H new ATOM 0 HA MET A 0 -19.964 -4.477 -6.484 1.00 0.00 H new ATOM 0 HB2 MET A 0 -22.834 -4.534 -6.973 1.00 0.00 H new ATOM 0 HB3 MET A 0 -22.394 -2.988 -6.274 1.00 0.00 H new ATOM 0 HG2 MET A 0 -21.645 -2.372 -8.341 1.00 0.00 H new ATOM 0 HG3 MET A 0 -20.317 -3.493 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 0 -23.479 -3.600 -11.209 1.00 0.00 H new ATOM 0 HE2 MET A 0 -23.728 -2.740 -9.670 1.00 0.00 H new ATOM 0 HE3 MET A 0 -22.293 -2.390 -10.663 1.00 0.00 H new ATOM 18 N LYS A 1 -19.661 -3.308 -4.299 1.00 0.00 N ATOM 19 CA LYS A 1 -19.488 -2.615 -2.991 1.00 0.00 C ATOM 20 C LYS A 1 -19.842 -1.135 -3.145 1.00 0.00 C ATOM 21 O LYS A 1 -20.667 -0.764 -3.956 1.00 0.00 O ATOM 22 CB LYS A 1 -18.031 -2.747 -2.536 1.00 0.00 C ATOM 23 CG LYS A 1 -17.587 -4.206 -2.665 1.00 0.00 C ATOM 24 CD LYS A 1 -16.116 -4.333 -2.256 1.00 0.00 C ATOM 25 CE LYS A 1 -15.523 -5.603 -2.874 1.00 0.00 C ATOM 26 NZ LYS A 1 -16.479 -6.732 -2.701 1.00 0.00 N ATOM 0 H LYS A 1 -18.834 -3.322 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 1 -20.145 -3.069 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.390 -2.106 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.930 -2.415 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.207 -4.843 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.721 -4.548 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.558 -3.458 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.031 -4.370 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.319 -5.444 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.572 -5.842 -2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.966 -7.634 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.937 -6.660 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.203 -6.691 -3.447 1.00 0.00 H new ATOM 40 N SER A 2 -19.221 -0.286 -2.374 1.00 0.00 N ATOM 41 CA SER A 2 -19.519 1.175 -2.474 1.00 0.00 C ATOM 42 C SER A 2 -18.822 1.904 -1.346 1.00 0.00 C ATOM 43 O SER A 2 -17.952 2.697 -1.609 1.00 0.00 O ATOM 44 CB SER A 2 -21.012 1.444 -2.408 1.00 0.00 C ATOM 45 OG SER A 2 -21.691 0.292 -1.923 1.00 0.00 O ATOM 0 H SER A 2 -18.519 -0.538 -1.678 1.00 0.00 H new ATOM 0 HA SER A 2 -19.155 1.534 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.209 2.294 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.387 1.708 -3.397 1.00 0.00 H new ATOM 0 HG SER A 2 -21.857 -0.327 -2.665 1.00 0.00 H new ATOM 51 N PRO A 3 -19.193 1.577 -0.126 1.00 0.00 N ATOM 52 CA PRO A 3 -18.561 2.147 1.052 1.00 0.00 C ATOM 53 C PRO A 3 -17.088 1.836 0.869 1.00 0.00 C ATOM 54 O PRO A 3 -16.647 0.805 1.308 1.00 0.00 O ATOM 55 CB PRO A 3 -19.141 1.365 2.239 1.00 0.00 C ATOM 56 CG PRO A 3 -20.185 0.381 1.669 1.00 0.00 C ATOM 57 CD PRO A 3 -20.251 0.618 0.156 1.00 0.00 C ATOM 0 HA PRO A 3 -18.714 3.215 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -18.354 0.828 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -19.602 2.042 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.901 -0.649 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.160 0.546 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.099 -0.310 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -21.225 1.008 -0.140 1.00 0.00 H new ATOM 65 N GLU A 4 -16.383 2.688 0.144 1.00 0.00 N ATOM 66 CA GLU A 4 -14.945 2.476 -0.243 1.00 0.00 C ATOM 67 C GLU A 4 -14.336 1.515 0.703 1.00 0.00 C ATOM 68 O GLU A 4 -13.550 1.814 1.561 1.00 0.00 O ATOM 69 CB GLU A 4 -14.196 3.811 -0.176 1.00 0.00 C ATOM 70 CG GLU A 4 -14.704 4.742 -1.280 1.00 0.00 C ATOM 71 CD GLU A 4 -14.784 3.975 -2.603 1.00 0.00 C ATOM 72 OE1 GLU A 4 -15.733 3.225 -2.772 1.00 0.00 O ATOM 73 OE2 GLU A 4 -13.898 4.149 -3.422 1.00 0.00 O ATOM 0 H GLU A 4 -16.770 3.563 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.885 2.084 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.344 4.274 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.125 3.645 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.686 5.134 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.037 5.597 -1.384 1.00 0.00 H new ATOM 80 N GLU A 5 -14.758 0.320 0.514 1.00 0.00 N ATOM 81 CA GLU A 5 -14.320 -0.772 1.352 1.00 0.00 C ATOM 82 C GLU A 5 -12.785 -0.774 1.386 1.00 0.00 C ATOM 83 O GLU A 5 -12.164 -1.350 2.259 1.00 0.00 O ATOM 84 CB GLU A 5 -14.889 -2.072 0.761 1.00 0.00 C ATOM 85 CG GLU A 5 -13.939 -3.234 1.023 1.00 0.00 C ATOM 86 CD GLU A 5 -14.742 -4.521 1.223 1.00 0.00 C ATOM 87 OE1 GLU A 5 -15.932 -4.501 0.955 1.00 0.00 O ATOM 88 OE2 GLU A 5 -14.153 -5.504 1.642 1.00 0.00 O ATOM 0 H GLU A 5 -15.415 0.055 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.675 -0.673 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.863 -2.284 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.043 -1.955 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.251 -3.350 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.334 -3.030 1.907 1.00 0.00 H new ATOM 95 N LEU A 6 -12.179 -0.124 0.428 1.00 0.00 N ATOM 96 CA LEU A 6 -10.695 -0.062 0.365 1.00 0.00 C ATOM 97 C LEU A 6 -10.183 1.030 1.266 1.00 0.00 C ATOM 98 O LEU A 6 -9.167 0.886 1.909 1.00 0.00 O ATOM 99 CB LEU A 6 -10.261 0.206 -1.083 1.00 0.00 C ATOM 100 CG LEU A 6 -10.682 -0.953 -2.015 1.00 0.00 C ATOM 101 CD1 LEU A 6 -11.001 -2.225 -1.216 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.926 -0.543 -2.807 1.00 0.00 C ATOM 0 H LEU A 6 -12.659 0.373 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.279 -1.012 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.706 1.138 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.179 0.335 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.851 -1.163 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.294 -3.021 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.118 -2.534 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.818 -2.024 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.224 -1.359 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.739 -0.318 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.702 0.341 -3.404 1.00 0.00 H new ATOM 114 N LYS A 7 -10.857 2.120 1.329 1.00 0.00 N ATOM 115 CA LYS A 7 -10.380 3.193 2.202 1.00 0.00 C ATOM 116 C LYS A 7 -10.351 2.682 3.643 1.00 0.00 C ATOM 117 O LYS A 7 -9.564 3.113 4.461 1.00 0.00 O ATOM 118 CB LYS A 7 -11.358 4.349 2.026 1.00 0.00 C ATOM 119 CG LYS A 7 -11.685 5.050 3.362 1.00 0.00 C ATOM 120 CD LYS A 7 -12.607 4.186 4.263 1.00 0.00 C ATOM 121 CE LYS A 7 -13.641 3.399 3.448 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.994 3.618 4.035 1.00 0.00 N ATOM 0 H LYS A 7 -11.716 2.315 0.815 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.370 3.522 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.937 5.075 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.280 3.977 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.758 5.267 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.168 6.006 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.999 3.492 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.122 4.830 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.626 3.723 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.396 2.337 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.700 3.087 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.002 3.288 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.225 4.632 4.007 1.00 0.00 H new ATOM 136 N GLY A 8 -11.232 1.780 3.957 1.00 0.00 N ATOM 137 CA GLY A 8 -11.312 1.239 5.348 1.00 0.00 C ATOM 138 C GLY A 8 -9.943 0.746 5.811 1.00 0.00 C ATOM 139 O GLY A 8 -9.709 0.554 6.986 1.00 0.00 O ATOM 0 H GLY A 8 -11.911 1.386 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.674 2.013 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.031 0.421 5.385 1.00 0.00 H new ATOM 143 N ILE A 9 -9.043 0.529 4.899 1.00 0.00 N ATOM 144 CA ILE A 9 -7.696 0.037 5.288 1.00 0.00 C ATOM 145 C ILE A 9 -6.663 1.136 5.064 1.00 0.00 C ATOM 146 O ILE A 9 -6.309 1.869 5.961 1.00 0.00 O ATOM 147 CB ILE A 9 -7.367 -1.210 4.445 1.00 0.00 C ATOM 148 CG1 ILE A 9 -5.850 -1.400 4.274 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.046 -1.138 3.070 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.437 -2.707 4.954 1.00 0.00 C ATOM 0 H ILE A 9 -9.182 0.671 3.898 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.679 -0.231 6.344 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.756 -2.073 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.590 -1.427 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.312 -0.560 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.798 -2.030 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.127 -1.079 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.696 -0.254 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.363 -2.853 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.686 -2.660 6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.968 -3.540 4.493 1.00 0.00 H new ATOM 162 N PHE A 10 -6.167 1.224 3.875 1.00 0.00 N ATOM 163 CA PHE A 10 -5.131 2.248 3.554 1.00 0.00 C ATOM 164 C PHE A 10 -5.471 3.582 4.180 1.00 0.00 C ATOM 165 O PHE A 10 -4.765 4.072 5.031 1.00 0.00 O ATOM 166 CB PHE A 10 -5.093 2.470 2.064 1.00 0.00 C ATOM 167 CG PHE A 10 -4.009 3.482 1.737 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.207 4.846 2.010 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.797 3.057 1.176 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.195 5.775 1.724 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.790 3.990 0.890 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.992 5.350 1.167 1.00 0.00 C ATOM 0 H PHE A 10 -6.434 0.625 3.094 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.178 1.883 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.896 1.530 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.060 2.829 1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.139 5.180 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.638 2.010 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.350 6.823 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.858 3.661 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.215 6.067 0.948 1.00 0.00 H new ATOM 182 N GLU A 11 -6.531 4.187 3.715 1.00 0.00 N ATOM 183 CA GLU A 11 -6.918 5.537 4.233 1.00 0.00 C ATOM 184 C GLU A 11 -6.614 5.604 5.724 1.00 0.00 C ATOM 185 O GLU A 11 -6.149 6.606 6.230 1.00 0.00 O ATOM 186 CB GLU A 11 -8.408 5.785 4.001 1.00 0.00 C ATOM 187 CG GLU A 11 -8.758 7.199 4.461 1.00 0.00 C ATOM 188 CD GLU A 11 -10.147 7.575 3.945 1.00 0.00 C ATOM 189 OE1 GLU A 11 -11.116 7.231 4.603 1.00 0.00 O ATOM 190 OE2 GLU A 11 -10.221 8.204 2.902 1.00 0.00 O ATOM 0 H GLU A 11 -7.148 3.806 2.998 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.350 6.302 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.649 5.663 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.001 5.054 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.736 7.255 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.017 7.907 4.090 1.00 0.00 H new ATOM 197 N LYS A 12 -6.842 4.534 6.429 1.00 0.00 N ATOM 198 CA LYS A 12 -6.526 4.539 7.878 1.00 0.00 C ATOM 199 C LYS A 12 -4.995 4.506 8.060 1.00 0.00 C ATOM 200 O LYS A 12 -4.442 5.294 8.796 1.00 0.00 O ATOM 201 CB LYS A 12 -7.205 3.325 8.560 1.00 0.00 C ATOM 202 CG LYS A 12 -6.177 2.292 9.060 1.00 0.00 C ATOM 203 CD LYS A 12 -5.345 2.891 10.205 1.00 0.00 C ATOM 204 CE LYS A 12 -5.766 2.260 11.533 1.00 0.00 C ATOM 205 NZ LYS A 12 -4.581 2.148 12.431 1.00 0.00 N ATOM 0 H LYS A 12 -7.231 3.663 6.067 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.909 5.445 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.808 3.672 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.885 2.847 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.690 1.393 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.522 1.993 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.284 2.714 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.486 3.971 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.538 2.866 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.197 1.274 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.869 1.719 13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.858 1.552 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.188 3.095 12.607 1.00 0.00 H new ATOM 219 N TYR A 13 -4.308 3.591 7.418 1.00 0.00 N ATOM 220 CA TYR A 13 -2.823 3.513 7.597 1.00 0.00 C ATOM 221 C TYR A 13 -2.164 4.776 7.066 1.00 0.00 C ATOM 222 O TYR A 13 -1.002 5.037 7.305 1.00 0.00 O ATOM 223 CB TYR A 13 -2.274 2.265 6.906 1.00 0.00 C ATOM 224 CG TYR A 13 -2.367 1.154 7.907 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.555 0.429 8.039 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.285 0.889 8.743 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.655 -0.570 9.007 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.382 -0.105 9.717 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.567 -0.838 9.852 1.00 0.00 C ATOM 230 OH TYR A 13 -2.666 -1.821 10.815 1.00 0.00 O ATOM 0 H TYR A 13 -4.707 2.900 6.783 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.594 3.436 8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.850 2.031 6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.242 2.418 6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.394 0.642 7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.370 1.453 8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.569 -1.137 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.544 -0.309 10.366 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.823 -1.878 11.312 1.00 0.00 H new ATOM 240 N ASP A 15 -2.919 5.584 6.398 1.00 0.00 N ATOM 241 CA ASP A 15 -2.406 6.855 5.902 1.00 0.00 C ATOM 242 C ASP A 15 -2.672 7.859 7.008 1.00 0.00 C ATOM 243 O ASP A 15 -3.412 8.804 6.838 1.00 0.00 O ATOM 244 CB ASP A 15 -3.176 7.246 4.650 1.00 0.00 C ATOM 245 CG ASP A 15 -2.207 7.851 3.637 1.00 0.00 C ATOM 246 OD1 ASP A 15 -1.454 7.095 3.049 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.232 9.060 3.468 1.00 0.00 O ATOM 0 H ASP A 15 -3.897 5.402 6.174 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.347 6.807 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.669 6.372 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.958 7.964 4.898 1.00 0.00 H new ATOM 252 N LYS A 16 -2.103 7.614 8.156 1.00 0.00 N ATOM 253 CA LYS A 16 -2.320 8.512 9.319 1.00 0.00 C ATOM 254 C LYS A 16 -1.443 9.767 9.150 1.00 0.00 C ATOM 255 O LYS A 16 -0.581 10.052 9.957 1.00 0.00 O ATOM 256 CB LYS A 16 -1.933 7.760 10.611 1.00 0.00 C ATOM 257 CG LYS A 16 -2.325 6.269 10.505 1.00 0.00 C ATOM 258 CD LYS A 16 -2.002 5.544 11.816 1.00 0.00 C ATOM 259 CE LYS A 16 -2.898 6.077 12.935 1.00 0.00 C ATOM 260 NZ LYS A 16 -2.062 6.766 13.956 1.00 0.00 N ATOM 0 H LYS A 16 -1.490 6.819 8.337 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.366 8.812 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.860 7.849 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.432 8.214 11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.389 6.180 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.787 5.802 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.153 4.471 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.954 5.691 12.075 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.635 6.768 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.450 5.257 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.672 7.128 14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.375 6.094 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.555 7.558 13.512 1.00 0.00 H new ATOM 274 N GLU A 17 -1.666 10.513 8.089 1.00 0.00 N ATOM 275 CA GLU A 17 -0.870 11.745 7.823 1.00 0.00 C ATOM 276 C GLU A 17 -1.639 12.664 6.852 1.00 0.00 C ATOM 277 O GLU A 17 -1.708 13.862 7.047 1.00 0.00 O ATOM 278 CB GLU A 17 0.467 11.356 7.184 1.00 0.00 C ATOM 279 CG GLU A 17 1.433 10.860 8.263 1.00 0.00 C ATOM 280 CD GLU A 17 2.818 10.664 7.649 1.00 0.00 C ATOM 281 OE1 GLU A 17 2.932 10.786 6.441 1.00 0.00 O ATOM 282 OE2 GLU A 17 3.744 10.394 8.397 1.00 0.00 O ATOM 0 H GLU A 17 -2.379 10.311 7.389 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.697 12.269 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.311 10.577 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.896 12.214 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.483 11.579 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.074 9.922 8.686 1.00 0.00 H new ATOM 289 N GLY A 18 -2.205 12.116 5.800 1.00 0.00 N ATOM 290 CA GLY A 18 -2.953 12.956 4.813 1.00 0.00 C ATOM 291 C GLY A 18 -2.002 14.000 4.244 1.00 0.00 C ATOM 292 O GLY A 18 -2.407 15.040 3.762 1.00 0.00 O ATOM 0 H GLY A 18 -2.180 11.119 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.354 12.333 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.802 13.441 5.295 1.00 0.00 H new ATOM 296 N ASP A 19 -0.736 13.716 4.291 1.00 0.00 N ATOM 297 CA ASP A 19 0.279 14.652 3.759 1.00 0.00 C ATOM 298 C ASP A 19 1.557 13.839 3.693 1.00 0.00 C ATOM 299 O ASP A 19 2.639 14.302 3.995 1.00 0.00 O ATOM 300 CB ASP A 19 0.454 15.843 4.707 1.00 0.00 C ATOM 301 CG ASP A 19 0.158 15.407 6.142 1.00 0.00 C ATOM 302 OD1 ASP A 19 0.838 14.515 6.621 1.00 0.00 O ATOM 303 OD2 ASP A 19 -0.745 15.971 6.737 1.00 0.00 O ATOM 0 H ASP A 19 -0.356 12.855 4.685 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.003 15.059 2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.471 16.230 4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.216 16.652 4.417 1.00 0.00 H new ATOM 308 N GLY A 20 1.403 12.591 3.369 1.00 0.00 N ATOM 309 CA GLY A 20 2.524 11.656 3.343 1.00 0.00 C ATOM 310 C GLY A 20 1.891 10.275 3.396 1.00 0.00 C ATOM 311 O GLY A 20 1.566 9.750 4.444 1.00 0.00 O ATOM 0 H GLY A 20 0.506 12.178 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.121 11.781 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.191 11.817 4.190 1.00 0.00 H new ATOM 315 N GLN A 22 1.677 9.726 2.258 1.00 0.00 N ATOM 316 CA GLN A 22 1.025 8.421 2.123 1.00 0.00 C ATOM 317 C GLN A 22 1.891 7.351 2.753 1.00 0.00 C ATOM 318 O GLN A 22 2.532 7.570 3.762 1.00 0.00 O ATOM 319 CB GLN A 22 0.951 8.150 0.644 1.00 0.00 C ATOM 320 CG GLN A 22 0.330 9.352 -0.074 1.00 0.00 C ATOM 321 CD GLN A 22 0.992 9.522 -1.444 1.00 0.00 C ATOM 322 OE1 GLN A 22 0.969 10.596 -2.012 1.00 0.00 O ATOM 323 NE2 GLN A 22 1.587 8.501 -2.005 1.00 0.00 N ATOM 0 H GLN A 22 1.941 10.151 1.369 1.00 0.00 H new ATOM 0 HA GLN A 22 0.046 8.417 2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.949 7.955 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.355 7.256 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.744 9.205 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.464 10.255 0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.608 7.599 -1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.030 8.607 -2.917 1.00 0.00 H new ATOM 332 N LEU A 23 1.871 6.186 2.215 1.00 0.00 N ATOM 333 CA LEU A 23 2.639 5.094 2.832 1.00 0.00 C ATOM 334 C LEU A 23 4.052 4.980 2.310 1.00 0.00 C ATOM 335 O LEU A 23 4.273 4.468 1.230 1.00 0.00 O ATOM 336 CB LEU A 23 2.021 3.750 2.494 1.00 0.00 C ATOM 337 CG LEU A 23 0.599 3.616 2.993 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.188 2.176 2.692 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.525 3.849 4.510 1.00 0.00 C ATOM 0 H LEU A 23 1.355 5.938 1.371 1.00 0.00 H new ATOM 0 HA LEU A 23 2.633 5.330 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.037 3.610 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.630 2.956 2.927 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.050 4.348 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.835 2.012 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.249 1.997 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.856 1.490 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.508 3.747 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.146 3.114 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.884 4.852 4.742 1.00 0.00 H new ATOM 351 N SER A 24 5.019 5.265 3.111 1.00 0.00 N ATOM 352 CA SER A 24 6.374 4.942 2.653 1.00 0.00 C ATOM 353 C SER A 24 6.359 3.439 2.895 1.00 0.00 C ATOM 354 O SER A 24 5.461 2.971 3.564 1.00 0.00 O ATOM 355 CB SER A 24 7.426 5.630 3.523 1.00 0.00 C ATOM 356 OG SER A 24 8.700 5.057 3.259 1.00 0.00 O ATOM 0 H SER A 24 4.936 5.693 4.033 1.00 0.00 H new ATOM 0 HA SER A 24 6.614 5.252 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.445 6.700 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.174 5.516 4.577 1.00 0.00 H new ATOM 0 HG SER A 24 9.378 5.497 3.814 1.00 0.00 H new ATOM 362 N LYS A 25 7.233 2.636 2.392 1.00 0.00 N ATOM 363 CA LYS A 25 7.025 1.197 2.716 1.00 0.00 C ATOM 364 C LYS A 25 6.974 0.995 4.237 1.00 0.00 C ATOM 365 O LYS A 25 6.558 -0.040 4.713 1.00 0.00 O ATOM 366 CB LYS A 25 8.083 0.298 2.089 1.00 0.00 C ATOM 367 CG LYS A 25 7.449 -0.441 0.917 1.00 0.00 C ATOM 368 CD LYS A 25 7.127 -1.874 1.346 1.00 0.00 C ATOM 369 CE LYS A 25 5.715 -2.243 0.887 1.00 0.00 C ATOM 370 NZ LYS A 25 5.748 -3.558 0.189 1.00 0.00 N ATOM 0 H LYS A 25 8.034 2.878 1.809 1.00 0.00 H new ATOM 0 HA LYS A 25 6.068 0.905 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.932 0.891 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.463 -0.411 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.540 0.069 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.128 -0.447 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.852 -2.565 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.204 -1.966 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.043 -2.291 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.326 -1.474 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.936 -3.628 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.631 -3.641 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.700 -4.325 0.890 1.00 0.00 H new ATOM 384 N GLU A 26 7.368 1.973 5.010 1.00 0.00 N ATOM 385 CA GLU A 26 7.297 1.807 6.489 1.00 0.00 C ATOM 386 C GLU A 26 5.834 1.579 6.893 1.00 0.00 C ATOM 387 O GLU A 26 5.539 0.807 7.781 1.00 0.00 O ATOM 388 CB GLU A 26 7.823 3.072 7.175 1.00 0.00 C ATOM 389 CG GLU A 26 9.076 2.730 7.984 1.00 0.00 C ATOM 390 CD GLU A 26 10.205 2.335 7.031 1.00 0.00 C ATOM 391 OE1 GLU A 26 10.332 2.974 5.999 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.922 1.401 7.349 1.00 0.00 O ATOM 0 H GLU A 26 7.732 2.869 4.685 1.00 0.00 H new ATOM 0 HA GLU A 26 7.905 0.955 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.055 3.833 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.057 3.489 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.378 3.586 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.865 1.913 8.674 1.00 0.00 H new ATOM 399 N GLU A 27 4.920 2.260 6.248 1.00 0.00 N ATOM 400 CA GLU A 27 3.470 2.106 6.577 1.00 0.00 C ATOM 401 C GLU A 27 2.831 0.997 5.724 1.00 0.00 C ATOM 402 O GLU A 27 1.816 0.440 6.091 1.00 0.00 O ATOM 403 CB GLU A 27 2.754 3.429 6.300 1.00 0.00 C ATOM 404 CG GLU A 27 3.416 4.544 7.109 1.00 0.00 C ATOM 405 CD GLU A 27 2.933 4.477 8.559 1.00 0.00 C ATOM 406 OE1 GLU A 27 1.975 3.764 8.811 1.00 0.00 O ATOM 407 OE2 GLU A 27 3.529 5.137 9.393 1.00 0.00 O ATOM 0 H GLU A 27 5.119 2.923 5.499 1.00 0.00 H new ATOM 0 HA GLU A 27 3.375 1.834 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.796 3.662 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.700 3.348 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.500 4.441 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.172 5.515 6.678 1.00 0.00 H new ATOM 414 N LEU A 28 3.403 0.673 4.592 1.00 0.00 N ATOM 415 CA LEU A 28 2.801 -0.394 3.738 1.00 0.00 C ATOM 416 C LEU A 28 3.223 -1.768 4.260 1.00 0.00 C ATOM 417 O LEU A 28 2.394 -2.576 4.626 1.00 0.00 O ATOM 418 CB LEU A 28 3.267 -0.215 2.291 1.00 0.00 C ATOM 419 CG LEU A 28 2.220 -0.791 1.333 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.418 -0.188 -0.060 1.00 0.00 C ATOM 421 CD2 LEU A 28 2.378 -2.312 1.255 1.00 0.00 C ATOM 0 H LEU A 28 4.254 1.098 4.225 1.00 0.00 H new ATOM 0 HA LEU A 28 1.714 -0.320 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.425 0.842 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.224 -0.716 2.143 1.00 0.00 H new ATOM 0 HG LEU A 28 1.222 -0.548 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.673 -0.597 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.306 0.895 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.416 -0.432 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.632 -2.721 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.376 -2.556 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.238 -2.744 2.246 1.00 0.00 H new ATOM 433 N LYS A 29 4.503 -2.040 4.301 1.00 0.00 N ATOM 434 CA LYS A 29 4.969 -3.361 4.806 1.00 0.00 C ATOM 435 C LYS A 29 4.153 -3.755 6.042 1.00 0.00 C ATOM 436 O LYS A 29 4.010 -4.918 6.360 1.00 0.00 O ATOM 437 CB LYS A 29 6.452 -3.272 5.174 1.00 0.00 C ATOM 438 CG LYS A 29 6.971 -4.659 5.562 1.00 0.00 C ATOM 439 CD LYS A 29 8.360 -4.523 6.188 1.00 0.00 C ATOM 440 CE LYS A 29 9.167 -5.796 5.929 1.00 0.00 C ATOM 441 NZ LYS A 29 8.500 -6.953 6.590 1.00 0.00 N ATOM 0 H LYS A 29 5.243 -1.403 4.006 1.00 0.00 H new ATOM 0 HA LYS A 29 4.834 -4.115 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.023 -2.882 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.590 -2.577 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.287 -5.132 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.017 -5.302 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.877 -3.661 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.271 -4.349 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.250 -5.975 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.181 -5.680 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.129 -7.780 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.290 -6.714 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.614 -7.174 6.092 1.00 0.00 H new ATOM 455 N LEU A 30 3.608 -2.791 6.734 1.00 0.00 N ATOM 456 CA LEU A 30 2.788 -3.105 7.937 1.00 0.00 C ATOM 457 C LEU A 30 1.358 -3.413 7.491 1.00 0.00 C ATOM 458 O LEU A 30 0.785 -4.413 7.863 1.00 0.00 O ATOM 459 CB LEU A 30 2.768 -1.898 8.880 1.00 0.00 C ATOM 460 CG LEU A 30 4.077 -1.118 8.755 1.00 0.00 C ATOM 461 CD1 LEU A 30 4.066 0.049 9.742 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.251 -2.043 9.077 1.00 0.00 C ATOM 0 H LEU A 30 3.696 -1.798 6.517 1.00 0.00 H new ATOM 0 HA LEU A 30 3.215 -3.962 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.925 -1.251 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.630 -2.231 9.909 1.00 0.00 H new ATOM 0 HG LEU A 30 4.180 -0.737 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.998 0.607 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.227 0.707 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.966 -0.334 10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.186 -1.489 8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.148 -2.421 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.257 -2.879 8.378 1.00 0.00 H new ATOM 474 N LEU A 31 0.776 -2.549 6.703 1.00 0.00 N ATOM 475 CA LEU A 31 -0.619 -2.777 6.236 1.00 0.00 C ATOM 476 C LEU A 31 -0.775 -4.187 5.640 1.00 0.00 C ATOM 477 O LEU A 31 -1.847 -4.759 5.671 1.00 0.00 O ATOM 478 CB LEU A 31 -0.958 -1.735 5.167 1.00 0.00 C ATOM 479 CG LEU A 31 -2.446 -1.810 4.830 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.911 -0.473 4.249 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.680 -2.917 3.802 1.00 0.00 C ATOM 0 H LEU A 31 1.210 -1.691 6.362 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.295 -2.686 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.706 -0.737 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.363 -1.912 4.271 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.010 -2.027 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.973 -0.530 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.746 0.319 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.346 -0.254 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.742 -2.971 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.113 -2.699 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.352 -3.871 4.214 1.00 0.00 H new ATOM 493 N LEU A 32 0.263 -4.744 5.069 1.00 0.00 N ATOM 494 CA LEU A 32 0.143 -6.085 4.449 1.00 0.00 C ATOM 495 C LEU A 32 -0.008 -7.204 5.501 1.00 0.00 C ATOM 496 O LEU A 32 -0.874 -8.049 5.383 1.00 0.00 O ATOM 497 CB LEU A 32 1.392 -6.314 3.600 1.00 0.00 C ATOM 498 CG LEU A 32 2.610 -6.588 4.485 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.687 -8.079 4.805 1.00 0.00 C ATOM 500 CD2 LEU A 32 3.881 -6.177 3.748 1.00 0.00 C ATOM 0 H LEU A 32 1.189 -4.321 5.009 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.758 -6.118 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.230 -7.156 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.579 -5.439 2.977 1.00 0.00 H new ATOM 0 HG LEU A 32 2.515 -6.016 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.555 -8.271 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.782 -8.386 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.779 -8.646 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.747 -6.373 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.968 -6.750 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.837 -5.114 3.512 1.00 0.00 H new ATOM 512 N GLN A 33 0.824 -7.242 6.510 1.00 0.00 N ATOM 513 CA GLN A 33 0.716 -8.335 7.527 1.00 0.00 C ATOM 514 C GLN A 33 -0.436 -8.064 8.492 1.00 0.00 C ATOM 515 O GLN A 33 -0.996 -8.971 9.076 1.00 0.00 O ATOM 516 CB GLN A 33 2.016 -8.413 8.331 1.00 0.00 C ATOM 517 CG GLN A 33 2.146 -7.181 9.230 1.00 0.00 C ATOM 518 CD GLN A 33 2.008 -7.603 10.694 1.00 0.00 C ATOM 519 OE1 GLN A 33 1.328 -8.563 11.000 1.00 0.00 O ATOM 520 NE2 GLN A 33 2.628 -6.923 11.621 1.00 0.00 N ATOM 0 H GLN A 33 1.571 -6.567 6.675 1.00 0.00 H new ATOM 0 HA GLN A 33 0.533 -9.273 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.025 -9.319 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.869 -8.473 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.110 -6.699 9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.378 -6.450 8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.199 -6.117 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.541 -7.198 12.599 1.00 0.00 H new ATOM 529 N THR A 34 -0.773 -6.828 8.684 1.00 0.00 N ATOM 530 CA THR A 34 -1.867 -6.493 9.636 1.00 0.00 C ATOM 531 C THR A 34 -3.232 -6.886 9.064 1.00 0.00 C ATOM 532 O THR A 34 -4.035 -7.497 9.741 1.00 0.00 O ATOM 533 CB THR A 34 -1.851 -4.988 9.922 1.00 0.00 C ATOM 534 OG1 THR A 34 -2.871 -4.679 10.861 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.095 -4.212 8.627 1.00 0.00 C ATOM 0 H THR A 34 -0.339 -6.028 8.223 1.00 0.00 H new ATOM 0 HA THR A 34 -1.704 -7.051 10.558 1.00 0.00 H new ATOM 0 HB THR A 34 -0.880 -4.707 10.329 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.934 -3.707 10.967 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.083 -3.142 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.312 -4.450 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.065 -4.490 8.214 1.00 0.00 H new ATOM 543 N GLU A 35 -3.526 -6.519 7.845 1.00 0.00 N ATOM 544 CA GLU A 35 -4.870 -6.860 7.291 1.00 0.00 C ATOM 545 C GLU A 35 -4.789 -7.386 5.846 1.00 0.00 C ATOM 546 O GLU A 35 -5.676 -8.085 5.396 1.00 0.00 O ATOM 547 CB GLU A 35 -5.740 -5.601 7.316 1.00 0.00 C ATOM 548 CG GLU A 35 -5.671 -4.964 8.706 1.00 0.00 C ATOM 549 CD GLU A 35 -6.624 -5.698 9.652 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.185 -6.698 9.235 1.00 0.00 O ATOM 551 OE2 GLU A 35 -6.775 -5.247 10.774 1.00 0.00 O ATOM 0 H GLU A 35 -2.906 -6.007 7.218 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.299 -7.651 7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.396 -4.893 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.772 -5.853 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.652 -5.013 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.940 -3.909 8.648 1.00 0.00 H new ATOM 558 N PHE A 36 -3.769 -7.048 5.102 1.00 0.00 N ATOM 559 CA PHE A 36 -3.703 -7.530 3.688 1.00 0.00 C ATOM 560 C PHE A 36 -2.565 -8.532 3.499 1.00 0.00 C ATOM 561 O PHE A 36 -1.542 -8.199 2.937 1.00 0.00 O ATOM 562 CB PHE A 36 -3.458 -6.338 2.762 1.00 0.00 C ATOM 563 CG PHE A 36 -4.753 -5.605 2.473 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.964 -6.026 3.048 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.738 -4.493 1.621 1.00 0.00 C ATOM 566 CE1 PHE A 36 -7.149 -5.336 2.766 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.924 -3.805 1.342 1.00 0.00 C ATOM 568 CZ PHE A 36 -7.130 -4.227 1.914 1.00 0.00 C ATOM 0 H PHE A 36 -2.988 -6.467 5.405 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.648 -8.019 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.743 -5.655 3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.014 -6.683 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.981 -6.881 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.809 -4.166 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.080 -5.661 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.909 -2.948 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.045 -3.696 1.697 1.00 0.00 H new ATOM 578 N PRO A 37 -2.786 -9.741 3.938 1.00 0.00 N ATOM 579 CA PRO A 37 -1.796 -10.820 3.785 1.00 0.00 C ATOM 580 C PRO A 37 -1.813 -11.292 2.337 1.00 0.00 C ATOM 581 O PRO A 37 -0.871 -11.124 1.589 1.00 0.00 O ATOM 582 CB PRO A 37 -2.328 -11.945 4.669 1.00 0.00 C ATOM 583 CG PRO A 37 -3.831 -11.659 4.865 1.00 0.00 C ATOM 584 CD PRO A 37 -4.028 -10.147 4.627 1.00 0.00 C ATOM 0 HA PRO A 37 -0.784 -10.512 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.174 -12.916 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.807 -11.968 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.431 -12.242 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.151 -11.938 5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.909 -9.948 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.162 -9.607 5.565 1.00 0.00 H new ATOM 592 N SER A 38 -2.901 -11.901 1.955 1.00 0.00 N ATOM 593 CA SER A 38 -3.045 -12.418 0.588 1.00 0.00 C ATOM 594 C SER A 38 -2.473 -11.412 -0.418 1.00 0.00 C ATOM 595 O SER A 38 -1.714 -11.768 -1.298 1.00 0.00 O ATOM 596 CB SER A 38 -4.525 -12.653 0.290 1.00 0.00 C ATOM 597 OG SER A 38 -5.309 -11.781 1.095 1.00 0.00 O ATOM 0 H SER A 38 -3.709 -12.060 2.556 1.00 0.00 H new ATOM 0 HA SER A 38 -2.498 -13.357 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.728 -12.474 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.789 -13.691 0.494 1.00 0.00 H new ATOM 0 HG SER A 38 -6.259 -11.927 0.906 1.00 0.00 H new ATOM 603 N LEU A 39 -2.833 -10.157 -0.299 1.00 0.00 N ATOM 604 CA LEU A 39 -2.305 -9.141 -1.256 1.00 0.00 C ATOM 605 C LEU A 39 -0.781 -9.237 -1.267 1.00 0.00 C ATOM 606 O LEU A 39 -0.153 -9.285 -2.307 1.00 0.00 O ATOM 607 CB LEU A 39 -2.781 -7.734 -0.824 1.00 0.00 C ATOM 608 CG LEU A 39 -1.599 -6.772 -0.616 1.00 0.00 C ATOM 609 CD1 LEU A 39 -0.914 -6.502 -1.957 1.00 0.00 C ATOM 610 CD2 LEU A 39 -2.112 -5.453 -0.034 1.00 0.00 C ATOM 0 H LEU A 39 -3.466 -9.796 0.415 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.676 -9.324 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.451 -7.328 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.354 -7.812 0.100 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.884 -7.222 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.077 -5.820 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.548 -7.440 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.629 -6.053 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.275 -4.771 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.828 -5.005 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.599 -5.642 0.923 1.00 0.00 H new ATOM 622 N LEU A 40 -0.186 -9.271 -0.113 1.00 0.00 N ATOM 623 CA LEU A 40 1.290 -9.372 -0.040 1.00 0.00 C ATOM 624 C LEU A 40 1.668 -10.834 0.194 1.00 0.00 C ATOM 625 O LEU A 40 2.513 -11.150 1.009 1.00 0.00 O ATOM 626 CB LEU A 40 1.800 -8.504 1.109 1.00 0.00 C ATOM 627 CG LEU A 40 3.255 -8.138 0.844 1.00 0.00 C ATOM 628 CD1 LEU A 40 3.456 -6.635 1.031 1.00 0.00 C ATOM 629 CD2 LEU A 40 4.157 -8.905 1.814 1.00 0.00 C ATOM 0 H LEU A 40 -0.663 -9.233 0.788 1.00 0.00 H new ATOM 0 HA LEU A 40 1.741 -9.024 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.195 -7.602 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.712 -9.040 2.054 1.00 0.00 H new ATOM 0 HG LEU A 40 3.513 -8.405 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.499 -6.381 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.817 -6.093 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.196 -6.358 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.198 -8.644 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.896 -8.641 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.019 -9.976 1.669 1.00 0.00 H new ATOM 641 N LYS A 41 1.032 -11.728 -0.515 1.00 0.00 N ATOM 642 CA LYS A 41 1.329 -13.175 -0.341 1.00 0.00 C ATOM 643 C LYS A 41 1.188 -13.892 -1.690 1.00 0.00 C ATOM 644 O LYS A 41 0.313 -14.715 -1.874 1.00 0.00 O ATOM 645 CB LYS A 41 0.333 -13.770 0.661 1.00 0.00 C ATOM 646 CG LYS A 41 0.872 -15.100 1.191 1.00 0.00 C ATOM 647 CD LYS A 41 0.234 -15.406 2.548 1.00 0.00 C ATOM 648 CE LYS A 41 1.097 -16.426 3.294 1.00 0.00 C ATOM 649 NZ LYS A 41 1.015 -16.168 4.760 1.00 0.00 N ATOM 0 H LYS A 41 0.316 -11.515 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 41 2.346 -13.302 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.173 -13.076 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.634 -13.923 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.652 -15.901 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.956 -15.051 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.143 -14.492 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.774 -15.797 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.757 -17.438 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.132 -16.357 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.601 -16.861 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.359 -15.208 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.027 -16.255 5.073 1.00 0.00 H new ATOM 663 N GLY A 42 2.037 -13.588 -2.637 1.00 0.00 N ATOM 664 CA GLY A 42 1.933 -14.260 -3.967 1.00 0.00 C ATOM 665 C GLY A 42 3.286 -14.226 -4.685 1.00 0.00 C ATOM 666 O GLY A 42 4.152 -15.040 -4.438 1.00 0.00 O ATOM 0 H GLY A 42 2.793 -12.909 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.608 -15.292 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.178 -13.763 -4.576 1.00 0.00 H new ATOM 670 N MET A 43 3.469 -13.294 -5.583 1.00 0.00 N ATOM 671 CA MET A 43 4.759 -13.211 -6.328 1.00 0.00 C ATOM 672 C MET A 43 5.903 -12.892 -5.353 1.00 0.00 C ATOM 673 O MET A 43 6.050 -13.539 -4.336 1.00 0.00 O ATOM 674 CB MET A 43 4.650 -12.120 -7.395 1.00 0.00 C ATOM 675 CG MET A 43 3.562 -12.500 -8.403 1.00 0.00 C ATOM 676 SD MET A 43 4.183 -12.236 -10.083 1.00 0.00 S ATOM 677 CE MET A 43 4.758 -13.925 -10.380 1.00 0.00 C ATOM 0 H MET A 43 2.779 -12.585 -5.833 1.00 0.00 H new ATOM 0 HA MET A 43 4.970 -14.166 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.412 -11.164 -6.930 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.606 -11.997 -7.904 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.274 -13.543 -8.269 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.668 -11.899 -8.235 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.188 -13.993 -11.379 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.515 -14.187 -9.641 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.918 -14.615 -10.299 1.00 0.00 H new ATOM 687 N SER A 44 6.714 -11.902 -5.643 1.00 0.00 N ATOM 688 CA SER A 44 7.829 -11.563 -4.719 1.00 0.00 C ATOM 689 C SER A 44 7.725 -10.085 -4.375 1.00 0.00 C ATOM 690 O SER A 44 8.664 -9.331 -4.528 1.00 0.00 O ATOM 691 CB SER A 44 9.168 -11.843 -5.401 1.00 0.00 C ATOM 692 OG SER A 44 9.741 -13.018 -4.842 1.00 0.00 O ATOM 0 H SER A 44 6.648 -11.319 -6.478 1.00 0.00 H new ATOM 0 HA SER A 44 7.767 -12.166 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.024 -11.969 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.842 -10.997 -5.268 1.00 0.00 H new ATOM 0 HG SER A 44 10.599 -13.203 -5.278 1.00 0.00 H new ATOM 698 N THR A 45 6.573 -9.671 -3.935 1.00 0.00 N ATOM 699 CA THR A 45 6.358 -8.240 -3.593 1.00 0.00 C ATOM 700 C THR A 45 7.524 -7.687 -2.778 1.00 0.00 C ATOM 701 O THR A 45 8.581 -7.399 -3.298 1.00 0.00 O ATOM 702 CB THR A 45 5.042 -8.091 -2.822 1.00 0.00 C ATOM 703 OG1 THR A 45 5.016 -6.834 -2.158 1.00 0.00 O ATOM 704 CG2 THR A 45 4.907 -9.216 -1.796 1.00 0.00 C ATOM 0 H THR A 45 5.760 -10.271 -3.796 1.00 0.00 H new ATOM 0 HA THR A 45 6.301 -7.664 -4.517 1.00 0.00 H new ATOM 0 HB THR A 45 4.210 -8.147 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.834 -6.971 -1.205 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.969 -9.102 -1.253 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.915 -10.178 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.740 -9.171 -1.095 1.00 0.00 H new ATOM 712 N LEU A 46 7.347 -7.494 -1.517 1.00 0.00 N ATOM 713 CA LEU A 46 8.454 -6.913 -0.732 1.00 0.00 C ATOM 714 C LEU A 46 8.850 -5.605 -1.428 1.00 0.00 C ATOM 715 O LEU A 46 8.125 -4.632 -1.383 1.00 0.00 O ATOM 716 CB LEU A 46 9.637 -7.885 -0.704 1.00 0.00 C ATOM 717 CG LEU A 46 9.328 -9.040 0.250 1.00 0.00 C ATOM 718 CD1 LEU A 46 9.126 -10.328 -0.550 1.00 0.00 C ATOM 719 CD2 LEU A 46 10.498 -9.226 1.219 1.00 0.00 C ATOM 0 H LEU A 46 6.496 -7.709 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 46 8.155 -6.726 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.829 -8.269 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.540 -7.366 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 46 8.420 -8.813 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.906 -11.149 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.295 -10.199 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.033 -10.555 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.279 -10.049 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.404 -9.451 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.645 -8.310 1.792 1.00 0.00 H new ATOM 731 N ASP A 47 9.959 -5.579 -2.116 1.00 0.00 N ATOM 732 CA ASP A 47 10.345 -4.352 -2.854 1.00 0.00 C ATOM 733 C ASP A 47 9.753 -4.435 -4.238 1.00 0.00 C ATOM 734 O ASP A 47 10.458 -4.553 -5.221 1.00 0.00 O ATOM 735 CB ASP A 47 11.840 -4.257 -2.989 1.00 0.00 C ATOM 736 CG ASP A 47 12.405 -3.287 -1.949 1.00 0.00 C ATOM 737 OD1 ASP A 47 11.665 -2.421 -1.512 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.567 -3.428 -1.607 1.00 0.00 O ATOM 0 H ASP A 47 10.613 -6.358 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 47 9.982 -3.480 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.287 -5.242 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.101 -3.919 -3.992 1.00 0.00 H new ATOM 743 N GLU A 48 8.488 -4.428 -4.326 1.00 0.00 N ATOM 744 CA GLU A 48 7.849 -4.557 -5.626 1.00 0.00 C ATOM 745 C GLU A 48 6.643 -3.646 -5.655 1.00 0.00 C ATOM 746 O GLU A 48 6.573 -2.721 -6.428 1.00 0.00 O ATOM 747 CB GLU A 48 7.454 -6.017 -5.774 1.00 0.00 C ATOM 748 CG GLU A 48 7.921 -6.546 -7.121 1.00 0.00 C ATOM 749 CD GLU A 48 6.778 -6.459 -8.134 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.637 -6.404 -7.707 1.00 0.00 O ATOM 751 OE2 GLU A 48 7.064 -6.448 -9.320 1.00 0.00 O ATOM 0 H GLU A 48 7.850 -4.336 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 48 8.504 -4.272 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.895 -6.605 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.372 -6.121 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.776 -5.969 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.253 -7.579 -7.021 1.00 0.00 H new ATOM 758 N LEU A 49 5.715 -3.871 -4.789 1.00 0.00 N ATOM 759 CA LEU A 49 4.535 -2.975 -4.746 1.00 0.00 C ATOM 760 C LEU A 49 5.036 -1.577 -4.414 1.00 0.00 C ATOM 761 O LEU A 49 4.448 -0.592 -4.813 1.00 0.00 O ATOM 762 CB LEU A 49 3.510 -3.389 -3.671 1.00 0.00 C ATOM 763 CG LEU A 49 3.833 -4.758 -3.077 1.00 0.00 C ATOM 764 CD1 LEU A 49 2.755 -5.128 -2.055 1.00 0.00 C ATOM 765 CD2 LEU A 49 3.860 -5.811 -4.189 1.00 0.00 C ATOM 0 H LEU A 49 5.716 -4.631 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 49 4.033 -3.025 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.495 -2.643 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.512 -3.409 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 49 4.808 -4.723 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.980 -6.105 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.734 -4.380 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.783 -5.162 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.091 -6.786 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.886 -5.850 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.622 -5.547 -4.922 1.00 0.00 H new ATOM 777 N PHE A 50 6.130 -1.465 -3.691 1.00 0.00 N ATOM 778 CA PHE A 50 6.624 -0.101 -3.376 1.00 0.00 C ATOM 779 C PHE A 50 7.444 0.415 -4.538 1.00 0.00 C ATOM 780 O PHE A 50 7.121 1.404 -5.140 1.00 0.00 O ATOM 781 CB PHE A 50 7.473 -0.076 -2.110 1.00 0.00 C ATOM 782 CG PHE A 50 7.486 1.345 -1.583 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.290 2.075 -1.502 1.00 0.00 C ATOM 784 CD2 PHE A 50 8.694 1.943 -1.199 1.00 0.00 C ATOM 785 CE1 PHE A 50 6.305 3.395 -1.036 1.00 0.00 C ATOM 786 CE2 PHE A 50 8.705 3.263 -0.730 1.00 0.00 C ATOM 787 CZ PHE A 50 7.511 3.988 -0.650 1.00 0.00 C ATOM 0 H PHE A 50 6.681 -2.239 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 50 5.756 0.535 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.063 -0.756 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.487 -0.412 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.358 1.618 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.617 1.386 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.384 3.956 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.636 3.721 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.521 5.006 -0.290 1.00 0.00 H new ATOM 797 N GLU A 51 8.503 -0.252 -4.864 1.00 0.00 N ATOM 798 CA GLU A 51 9.335 0.225 -6.002 1.00 0.00 C ATOM 799 C GLU A 51 8.428 0.488 -7.200 1.00 0.00 C ATOM 800 O GLU A 51 8.757 1.249 -8.088 1.00 0.00 O ATOM 801 CB GLU A 51 10.377 -0.834 -6.363 1.00 0.00 C ATOM 802 CG GLU A 51 9.671 -2.073 -6.917 1.00 0.00 C ATOM 803 CD GLU A 51 10.342 -2.503 -8.222 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.966 -1.981 -9.259 1.00 0.00 O ATOM 805 OE2 GLU A 51 11.222 -3.346 -8.163 1.00 0.00 O ATOM 0 H GLU A 51 8.832 -1.099 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 51 9.851 1.143 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.073 -0.438 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.963 -1.099 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.713 -2.884 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.617 -1.856 -7.092 1.00 0.00 H new ATOM 812 N GLU A 52 7.285 -0.132 -7.225 1.00 0.00 N ATOM 813 CA GLU A 52 6.344 0.078 -8.358 1.00 0.00 C ATOM 814 C GLU A 52 6.175 1.581 -8.614 1.00 0.00 C ATOM 815 O GLU A 52 6.253 2.042 -9.735 1.00 0.00 O ATOM 816 CB GLU A 52 4.986 -0.533 -8.001 1.00 0.00 C ATOM 817 CG GLU A 52 4.999 -2.039 -8.298 1.00 0.00 C ATOM 818 CD GLU A 52 4.259 -2.308 -9.610 1.00 0.00 C ATOM 819 OE1 GLU A 52 4.012 -1.357 -10.334 1.00 0.00 O ATOM 820 OE2 GLU A 52 3.952 -3.459 -9.871 1.00 0.00 O ATOM 0 H GLU A 52 6.959 -0.779 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 52 6.739 -0.398 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.766 -0.363 -6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.196 -0.047 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.026 -2.398 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.525 -2.585 -7.482 1.00 0.00 H new ATOM 827 N LEU A 53 5.928 2.344 -7.581 1.00 0.00 N ATOM 828 CA LEU A 53 5.735 3.794 -7.735 1.00 0.00 C ATOM 829 C LEU A 53 6.872 4.534 -7.023 1.00 0.00 C ATOM 830 O LEU A 53 7.376 5.530 -7.492 1.00 0.00 O ATOM 831 CB LEU A 53 4.412 4.140 -7.065 1.00 0.00 C ATOM 832 CG LEU A 53 3.314 3.194 -7.556 1.00 0.00 C ATOM 833 CD1 LEU A 53 2.392 2.828 -6.389 1.00 0.00 C ATOM 834 CD2 LEU A 53 2.497 3.887 -8.644 1.00 0.00 C ATOM 0 H LEU A 53 5.853 2.004 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 53 5.730 4.081 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.512 4.063 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.141 5.172 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 53 3.770 2.289 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.610 2.154 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.972 2.336 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.937 3.733 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.714 3.215 -8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.043 4.791 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.149 4.151 -9.477 1.00 0.00 H new ATOM 846 N ASP A 54 7.259 4.049 -5.878 1.00 0.00 N ATOM 847 CA ASP A 54 8.345 4.700 -5.085 1.00 0.00 C ATOM 848 C ASP A 54 9.716 4.218 -5.533 1.00 0.00 C ATOM 849 O ASP A 54 10.693 4.310 -4.817 1.00 0.00 O ATOM 850 CB ASP A 54 8.187 4.287 -3.652 1.00 0.00 C ATOM 851 CG ASP A 54 9.073 5.160 -2.761 1.00 0.00 C ATOM 852 OD1 ASP A 54 8.626 6.229 -2.380 1.00 0.00 O ATOM 853 OD2 ASP A 54 10.186 4.746 -2.478 1.00 0.00 O ATOM 0 H ASP A 54 6.863 3.213 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 54 8.272 5.779 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.144 4.383 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.458 3.238 -3.534 1.00 0.00 H new ATOM 858 N LYS A 55 9.778 3.706 -6.697 1.00 0.00 N ATOM 859 CA LYS A 55 11.028 3.195 -7.260 1.00 0.00 C ATOM 860 C LYS A 55 12.224 4.074 -6.846 1.00 0.00 C ATOM 861 O LYS A 55 13.293 3.573 -6.558 1.00 0.00 O ATOM 862 CB LYS A 55 10.825 3.214 -8.763 1.00 0.00 C ATOM 863 CG LYS A 55 10.786 4.656 -9.276 1.00 0.00 C ATOM 864 CD LYS A 55 9.511 5.374 -8.824 1.00 0.00 C ATOM 865 CE LYS A 55 9.480 6.789 -9.411 1.00 0.00 C ATOM 866 NZ LYS A 55 9.370 6.723 -10.897 1.00 0.00 N ATOM 0 H LYS A 55 8.973 3.614 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 55 11.256 2.193 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.632 2.668 -9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.895 2.705 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.659 5.197 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.841 4.658 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.633 4.816 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.475 5.420 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.636 7.344 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.384 7.329 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.999 7.625 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.309 6.546 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.725 5.952 -11.163 1.00 0.00 H new ATOM 880 N ASN A 56 12.056 5.368 -6.789 1.00 0.00 N ATOM 881 CA ASN A 56 13.188 6.250 -6.363 1.00 0.00 C ATOM 882 C ASN A 56 12.611 7.512 -5.726 1.00 0.00 C ATOM 883 O ASN A 56 12.918 8.617 -6.130 1.00 0.00 O ATOM 884 CB ASN A 56 14.057 6.656 -7.564 1.00 0.00 C ATOM 885 CG ASN A 56 13.831 5.690 -8.737 1.00 0.00 C ATOM 886 OD1 ASN A 56 14.109 4.514 -8.622 1.00 0.00 O ATOM 887 ND2 ASN A 56 13.341 6.131 -9.873 1.00 0.00 N ATOM 0 H ASN A 56 11.189 5.854 -7.017 1.00 0.00 H new ATOM 0 HA ASN A 56 13.809 5.702 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.814 7.673 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.109 6.652 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.197 5.487 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.105 7.118 -9.978 1.00 0.00 H new ATOM 894 N GLY A 57 11.760 7.365 -4.749 1.00 0.00 N ATOM 895 CA GLY A 57 11.156 8.571 -4.121 1.00 0.00 C ATOM 896 C GLY A 57 10.533 9.406 -5.230 1.00 0.00 C ATOM 897 O GLY A 57 10.890 10.545 -5.457 1.00 0.00 O ATOM 0 H GLY A 57 11.459 6.471 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.402 8.284 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.914 9.146 -3.589 1.00 0.00 H new ATOM 901 N ASP A 58 9.606 8.825 -5.926 1.00 0.00 N ATOM 902 CA ASP A 58 8.931 9.526 -7.040 1.00 0.00 C ATOM 903 C ASP A 58 7.628 8.788 -7.299 1.00 0.00 C ATOM 904 O ASP A 58 7.161 8.678 -8.415 1.00 0.00 O ATOM 905 CB ASP A 58 9.826 9.499 -8.287 1.00 0.00 C ATOM 906 CG ASP A 58 10.253 10.927 -8.637 1.00 0.00 C ATOM 907 OD1 ASP A 58 9.393 11.791 -8.672 1.00 0.00 O ATOM 908 OD2 ASP A 58 11.435 11.131 -8.865 1.00 0.00 O ATOM 0 H ASP A 58 9.281 7.872 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 58 8.737 10.570 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.704 8.879 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.289 9.053 -9.124 1.00 0.00 H new ATOM 913 N GLY A 59 7.047 8.267 -6.253 1.00 0.00 N ATOM 914 CA GLY A 59 5.783 7.515 -6.399 1.00 0.00 C ATOM 915 C GLY A 59 5.492 6.761 -5.113 1.00 0.00 C ATOM 916 O GLY A 59 5.542 5.551 -5.062 1.00 0.00 O ATOM 0 H GLY A 59 7.402 8.334 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.965 8.198 -6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.856 6.818 -7.234 1.00 0.00 H new ATOM 920 N GLU A 60 5.169 7.466 -4.077 1.00 0.00 N ATOM 921 CA GLU A 60 4.849 6.781 -2.800 1.00 0.00 C ATOM 922 C GLU A 60 3.460 6.159 -2.963 1.00 0.00 C ATOM 923 O GLU A 60 2.860 6.254 -4.016 1.00 0.00 O ATOM 924 CB GLU A 60 4.837 7.799 -1.657 1.00 0.00 C ATOM 925 CG GLU A 60 5.982 8.795 -1.847 1.00 0.00 C ATOM 926 CD GLU A 60 6.638 9.082 -0.495 1.00 0.00 C ATOM 927 OE1 GLU A 60 7.167 8.152 0.094 1.00 0.00 O ATOM 928 OE2 GLU A 60 6.599 10.224 -0.070 1.00 0.00 O ATOM 0 H GLU A 60 5.112 8.484 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 60 5.591 6.017 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.883 8.326 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.941 7.288 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.718 8.391 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.605 9.720 -2.284 1.00 0.00 H new ATOM 935 N VAL A 61 2.952 5.492 -1.971 1.00 0.00 N ATOM 936 CA VAL A 61 1.621 4.847 -2.150 1.00 0.00 C ATOM 937 C VAL A 61 0.541 5.566 -1.362 1.00 0.00 C ATOM 938 O VAL A 61 0.326 5.316 -0.197 1.00 0.00 O ATOM 939 CB VAL A 61 1.699 3.407 -1.696 1.00 0.00 C ATOM 940 CG1 VAL A 61 0.428 2.672 -2.120 1.00 0.00 C ATOM 941 CG2 VAL A 61 2.912 2.765 -2.357 1.00 0.00 C ATOM 0 H VAL A 61 3.388 5.364 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 61 1.358 4.899 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 61 1.792 3.353 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.482 1.633 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.439 3.151 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.332 2.707 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.989 1.724 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.803 2.811 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.814 3.300 -2.061 1.00 0.00 H new ATOM 951 N SER A 62 -0.160 6.427 -2.022 1.00 0.00 N ATOM 952 CA SER A 62 -1.277 7.173 -1.370 1.00 0.00 C ATOM 953 C SER A 62 -2.506 6.269 -1.378 1.00 0.00 C ATOM 954 O SER A 62 -2.384 5.068 -1.432 1.00 0.00 O ATOM 955 CB SER A 62 -1.583 8.434 -2.194 1.00 0.00 C ATOM 956 OG SER A 62 -2.660 8.168 -3.083 1.00 0.00 O ATOM 0 H SER A 62 -0.011 6.656 -3.005 1.00 0.00 H new ATOM 0 HA SER A 62 -1.010 7.456 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.839 9.261 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.700 8.738 -2.756 1.00 0.00 H new ATOM 0 HG SER A 62 -2.857 8.972 -3.608 1.00 0.00 H new ATOM 962 N PHE A 63 -3.682 6.834 -1.331 1.00 0.00 N ATOM 963 CA PHE A 63 -4.919 6.001 -1.356 1.00 0.00 C ATOM 964 C PHE A 63 -5.569 6.050 -2.735 1.00 0.00 C ATOM 965 O PHE A 63 -6.169 5.093 -3.146 1.00 0.00 O ATOM 966 CB PHE A 63 -5.921 6.484 -0.318 1.00 0.00 C ATOM 967 CG PHE A 63 -7.042 5.512 -0.417 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.732 4.157 -0.392 1.00 0.00 C ATOM 969 CD2 PHE A 63 -8.342 5.938 -0.651 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.715 3.209 -0.580 1.00 0.00 C ATOM 971 CE2 PHE A 63 -9.340 4.986 -0.867 1.00 0.00 C ATOM 972 CZ PHE A 63 -9.026 3.609 -0.827 1.00 0.00 C ATOM 0 H PHE A 63 -3.840 7.840 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.631 4.976 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.487 6.492 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.255 7.500 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.712 3.844 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.578 6.992 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.469 2.158 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.353 5.302 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.798 2.871 -0.987 1.00 0.00 H new ATOM 982 N GLU A 64 -5.500 7.127 -3.460 1.00 0.00 N ATOM 983 CA GLU A 64 -6.166 7.096 -4.792 1.00 0.00 C ATOM 984 C GLU A 64 -5.349 6.237 -5.781 1.00 0.00 C ATOM 985 O GLU A 64 -5.913 5.477 -6.541 1.00 0.00 O ATOM 986 CB GLU A 64 -6.354 8.516 -5.317 1.00 0.00 C ATOM 987 CG GLU A 64 -7.588 9.122 -4.642 1.00 0.00 C ATOM 988 CD GLU A 64 -8.031 10.370 -5.407 1.00 0.00 C ATOM 989 OE1 GLU A 64 -7.639 10.508 -6.554 1.00 0.00 O ATOM 990 OE2 GLU A 64 -8.754 11.167 -4.833 1.00 0.00 O ATOM 0 H GLU A 64 -5.032 7.997 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.150 6.640 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.471 9.119 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.480 8.506 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.397 8.392 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.360 9.379 -3.608 1.00 0.00 H new ATOM 997 N GLU A 65 -4.037 6.299 -5.763 1.00 0.00 N ATOM 998 CA GLU A 65 -3.257 5.416 -6.692 1.00 0.00 C ATOM 999 C GLU A 65 -3.339 3.991 -6.125 1.00 0.00 C ATOM 1000 O GLU A 65 -3.293 2.999 -6.826 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.798 5.885 -6.764 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.110 5.679 -5.414 1.00 0.00 C ATOM 1003 CD GLU A 65 0.014 4.656 -5.568 1.00 0.00 C ATOM 1004 OE1 GLU A 65 1.002 4.983 -6.204 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.131 3.562 -5.047 1.00 0.00 O ATOM 0 H GLU A 65 -3.483 6.907 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.663 5.452 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.268 5.331 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.760 6.938 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.708 6.625 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.832 5.334 -4.674 1.00 0.00 H new ATOM 1012 N PHE A 66 -3.501 3.932 -4.836 1.00 0.00 N ATOM 1013 CA PHE A 66 -3.648 2.669 -4.060 1.00 0.00 C ATOM 1014 C PHE A 66 -4.659 1.726 -4.684 1.00 0.00 C ATOM 1015 O PHE A 66 -4.726 0.565 -4.339 1.00 0.00 O ATOM 1016 CB PHE A 66 -4.194 3.078 -2.733 1.00 0.00 C ATOM 1017 CG PHE A 66 -4.281 1.908 -1.829 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -3.131 1.345 -1.288 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -5.532 1.384 -1.541 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.243 0.245 -0.447 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.651 0.293 -0.704 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.506 -0.280 -0.155 1.00 0.00 C ATOM 0 H PHE A 66 -3.540 4.766 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.688 2.155 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.555 3.842 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.181 3.522 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.160 1.758 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.415 1.831 -1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.358 -0.203 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.625 -0.114 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.594 -1.134 0.500 1.00 0.00 H new ATOM 1032 N GLN A 67 -5.467 2.210 -5.567 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.501 1.308 -6.214 1.00 0.00 C ATOM 1034 C GLN A 67 -5.796 0.219 -7.024 1.00 0.00 C ATOM 1035 O GLN A 67 -6.407 -0.474 -7.809 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.435 2.113 -7.150 1.00 0.00 C ATOM 1037 CG GLN A 67 -8.425 2.950 -6.324 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.713 3.387 -5.065 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -7.296 4.516 -4.955 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -7.574 2.523 -4.100 1.00 0.00 N ATOM 0 H GLN A 67 -5.475 3.180 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.103 0.859 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.843 2.766 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.981 1.432 -7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.763 3.816 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.311 2.364 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.932 1.574 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.107 2.795 -3.235 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.518 0.065 -6.839 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.774 -0.980 -7.602 1.00 0.00 C ATOM 1051 C VAL A 68 -3.311 -2.101 -6.667 1.00 0.00 C ATOM 1052 O VAL A 68 -2.827 -3.127 -7.104 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.565 -0.349 -8.298 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -3.040 0.747 -9.254 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -1.631 0.262 -7.249 1.00 0.00 C ATOM 0 H VAL A 68 -3.953 0.616 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.441 -1.407 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.030 -1.116 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.179 1.196 -9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.704 0.314 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.576 1.513 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.771 0.711 -7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.166 1.028 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.291 -0.517 -6.567 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.485 -1.929 -5.392 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.091 -3.000 -4.427 1.00 0.00 C ATOM 1067 C LEU A 69 -4.369 -3.582 -3.885 1.00 0.00 C ATOM 1068 O LEU A 69 -4.458 -4.746 -3.546 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.261 -2.466 -3.265 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.685 -1.163 -3.705 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.083 -0.418 -2.516 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.614 -1.404 -4.769 1.00 0.00 C ATOM 0 H LEU A 69 -3.884 -1.091 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.476 -3.737 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.880 -2.334 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.470 -3.168 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.481 -0.552 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.667 0.531 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.859 -0.230 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.293 -1.022 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.196 -0.449 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.178 -2.026 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.060 -1.909 -5.626 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.378 -2.764 -3.828 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.683 -3.258 -3.334 1.00 0.00 C ATOM 1086 C VAL A 70 -7.269 -4.130 -4.432 1.00 0.00 C ATOM 1087 O VAL A 70 -7.980 -5.083 -4.179 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.637 -2.103 -2.998 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.120 -2.288 -1.568 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -6.922 -0.752 -3.102 1.00 0.00 C ATOM 0 H VAL A 70 -5.354 -1.781 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.545 -3.822 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.468 -2.111 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.800 -1.478 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.641 -3.242 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.266 -2.277 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.620 0.049 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.085 -0.728 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.551 -0.614 -4.118 1.00 0.00 H new ATOM 1100 N LYS A 71 -6.930 -3.835 -5.658 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.417 -4.673 -6.777 1.00 0.00 C ATOM 1102 C LYS A 71 -6.518 -5.906 -6.848 1.00 0.00 C ATOM 1103 O LYS A 71 -6.958 -6.990 -7.172 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.355 -3.890 -8.095 1.00 0.00 C ATOM 1105 CG LYS A 71 -5.900 -3.697 -8.527 1.00 0.00 C ATOM 1106 CD LYS A 71 -5.857 -3.333 -10.013 1.00 0.00 C ATOM 1107 CE LYS A 71 -6.872 -2.226 -10.300 1.00 0.00 C ATOM 1108 NZ LYS A 71 -6.340 -1.341 -11.372 1.00 0.00 N ATOM 0 H LYS A 71 -6.337 -3.050 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.455 -4.965 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.904 -4.424 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.838 -2.920 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.434 -2.910 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.331 -4.610 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.855 -3.002 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.080 -4.211 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.823 -2.659 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.063 -1.648 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.027 -0.586 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.442 -0.919 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.179 -1.899 -12.235 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.253 -5.750 -6.526 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.337 -6.921 -6.557 1.00 0.00 C ATOM 1124 C LYS A 72 -4.707 -7.870 -5.414 1.00 0.00 C ATOM 1125 O LYS A 72 -4.198 -8.969 -5.317 1.00 0.00 O ATOM 1126 CB LYS A 72 -2.892 -6.445 -6.380 1.00 0.00 C ATOM 1127 CG LYS A 72 -1.933 -7.493 -6.952 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.891 -7.367 -8.476 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.435 -7.353 -8.949 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.397 -7.374 -10.438 1.00 0.00 N ATOM 0 H LYS A 72 -4.825 -4.867 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.430 -7.438 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.748 -5.491 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.679 -6.281 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.935 -7.353 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.259 -8.494 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.425 -8.199 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.395 -6.453 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.072 -6.464 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.097 -8.216 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.592 -7.365 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.866 -8.235 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.890 -6.537 -10.810 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.594 -7.452 -4.546 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.000 -8.323 -3.414 1.00 0.00 C ATOM 1146 C ILE A 73 -6.943 -9.413 -3.916 1.00 0.00 C ATOM 1147 O ILE A 73 -7.378 -10.271 -3.175 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.699 -7.473 -2.346 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.649 -6.693 -1.553 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -7.485 -8.374 -1.390 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -6.312 -5.514 -0.843 1.00 0.00 C ATOM 0 H ILE A 73 -6.053 -6.541 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.118 -8.793 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.386 -6.782 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.170 -7.347 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.867 -6.334 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.978 -7.761 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.235 -8.933 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.803 -9.071 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.562 -4.960 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.770 -4.856 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.078 -5.884 -0.162 1.00 0.00 H new ATOM 1163 N SER A 74 -7.249 -9.383 -5.172 1.00 0.00 N ATOM 1164 CA SER A 74 -8.159 -10.410 -5.754 1.00 0.00 C ATOM 1165 C SER A 74 -7.688 -10.751 -7.168 1.00 0.00 C ATOM 1166 O SER A 74 -8.372 -10.499 -8.138 1.00 0.00 O ATOM 1167 CB SER A 74 -9.583 -9.857 -5.806 1.00 0.00 C ATOM 1168 OG SER A 74 -10.110 -9.792 -4.486 1.00 0.00 O ATOM 0 H SER A 74 -6.908 -8.686 -5.834 1.00 0.00 H new ATOM 0 HA SER A 74 -8.145 -11.308 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.584 -8.866 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.210 -10.494 -6.430 1.00 0.00 H new ATOM 0 HG SER A 74 -11.023 -9.436 -4.515 1.00 0.00 H new ATOM 1174 N GLN A 75 -6.518 -11.326 -7.292 1.00 0.00 N ATOM 1175 CA GLN A 75 -5.995 -11.681 -8.640 1.00 0.00 C ATOM 1176 C GLN A 75 -4.856 -12.688 -8.484 1.00 0.00 C ATOM 1177 O GLN A 75 -4.308 -12.856 -7.413 1.00 0.00 O ATOM 1178 CB GLN A 75 -5.460 -10.424 -9.331 1.00 0.00 C ATOM 1179 CG GLN A 75 -6.549 -9.802 -10.210 1.00 0.00 C ATOM 1180 CD GLN A 75 -7.108 -10.860 -11.164 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -8.035 -11.569 -10.830 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -6.579 -10.994 -12.349 1.00 0.00 N ATOM 1183 OXT GLN A 75 -4.490 -13.354 -9.543 1.00 0.00 O ATOM 0 H GLN A 75 -5.903 -11.564 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.796 -12.113 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.128 -9.702 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.591 -10.676 -9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.349 -9.402 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.139 -8.967 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.800 -10.398 -12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.944 -11.694 -12.994 1.00 0.00 H new TER 1192 GLN A 75